#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwk h SER 20 N 0.00 -0.34 -3.28 1.61 4.64 -2.03 -3.45 113.55 110.70 2jwk h SER 20 Ca 0.00 -0.18 -0.53 0.00 -0.47 0.00 0.00 61.79 60.61 2jwk h SER 20 Cb 0.00 0.09 -0.35 0.00 -0.31 0.00 0.00 62.40 61.83 2jwk h SER 20 CO 0.00 0.12 -0.81 -0.69 -0.87 0.00 0.00 176.83 174.58 2jwk s VAL 21 N -3.71 1.16 1.15 0.95 1.01 -1.26 -5.13 120.40 114.57 2jwk s VAL 21 Ca -0.12 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 2jwk s VAL 21 Cb 0.01 -1.11 0.19 0.00 0.00 0.00 0.00 36.38 35.47 2jwk s VAL 21 CO 0.41 0.38 0.35 -2.65 0.00 0.00 0.00 175.10 173.58 2jwk n PRO 22 N 4.39 -2.52 -4.13 2.72 -0.02 -1.26 -4.28 135.00 129.91 2jwk n PRO 22 Ca -0.18 -0.73 -0.34 0.00 -2.02 0.00 0.00 63.50 60.23 2jwk n PRO 22 Cb 0.51 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.16 2jwk n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jwk s VAL 23 N -2.16 3.08 -0.15 -1.45 1.01 0.00 -3.53 120.40 117.20 2jwk s VAL 23 Ca 0.51 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2jwk s VAL 23 Cb -0.11 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2jwk s VAL 23 CO 0.52 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 175.36 2jwk s ILE 24 N 1.20 3.31 -0.19 2.22 1.09 -0.01 -2.15 121.20 126.67 2jwk s ILE 24 Ca 0.02 -0.56 -0.01 0.00 -1.10 0.00 0.00 60.65 59.00 2jwk s ILE 24 Cb -0.14 -2.43 -0.00 0.00 -1.06 0.00 0.00 42.46 38.83 2jwk s ILE 24 CO -0.03 0.50 -0.11 -0.22 -0.10 0.00 0.00 174.94 174.97 2jwk s LEU 25 N 0.58 2.60 -0.18 2.97 0.20 -0.71 0.48 118.68 124.62 2jwk s LEU 25 Ca -0.06 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.26 2jwk s LEU 25 Cb -0.15 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 2jwk s LEU 25 CO 0.03 0.02 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.46 2jwk s GLU 26 N 1.21 3.56 -0.25 1.98 2.02 0.13 -1.92 118.70 125.43 2jwk s GLU 26 Ca 0.02 -0.56 -0.25 0.00 0.02 0.00 0.00 54.97 54.20 2jwk s GLU 26 Cb -0.14 -2.94 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 2jwk s GLU 26 CO -0.05 0.09 0.84 0.08 0.02 0.00 0.00 175.26 176.24 2jwk s VAL 27 N 0.77 4.82 -0.08 2.63 1.01 0.10 -0.88 120.40 128.76 2jwk s VAL 27 Ca -0.02 1.57 0.21 0.00 0.00 0.00 0.00 61.98 63.74 2jwk s VAL 27 Cb -0.15 -4.14 -0.30 0.00 0.00 0.00 0.00 36.38 31.79 2jwk s VAL 27 CO 0.02 -0.10 0.39 0.00 0.00 0.00 0.00 175.10 175.41 2jwk n ALA 28 N 6.06 2.44 -2.00 5.51 0.00 -0.88 -2.42 120.51 129.23 2jwk n ALA 28 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2jwk n ALA 28 Cb 0.47 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2jwk n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwk n GLY 29 N 1.39 -0.45 3.13 0.00 0.00 -1.22 -4.77 105.19 103.27 2jwk n GLY 29 Ca -0.12 0.62 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 2jwk n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jwk s ILE 30 N 2.77 3.25 0.00 -0.61 -1.09 -1.26 -4.60 121.20 119.66 2jwk s ILE 30 Ca 0.00 -1.98 0.00 0.00 -2.23 0.00 0.00 60.65 56.44 2jwk s ILE 30 Cb 0.00 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 2jwk s ILE 30 CO 0.00 -0.63 0.00 0.61 -1.23 0.00 0.00 174.94 173.69 2jwk n GLY 31 N 4.59 1.22 3.58 6.18 0.00 -1.26 -5.01 105.19 114.48 2jwk n GLY 31 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2jwk n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwk s LYS 32 N -0.02 3.85 0.06 1.61 1.02 -1.26 -4.18 119.74 120.82 2jwk s LYS 32 Ca 0.00 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.58 2jwk s LYS 32 Cb 0.00 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 2jwk s LYS 32 CO 0.00 0.24 -0.05 0.71 -0.92 0.00 0.00 175.35 175.33 2jwk s TYR 33 N 0.42 0.59 0.03 3.18 2.02 -0.84 -2.06 117.35 120.69 2jwk s TYR 33 Ca 0.00 -0.81 0.07 0.00 -0.37 0.00 0.00 57.07 55.96 2jwk s TYR 33 Cb -0.13 -0.39 -0.02 0.00 -0.40 0.00 0.00 41.96 41.02 2jwk s TYR 33 CO 0.01 -0.22 -0.19 0.00 -1.57 0.00 0.00 175.55 173.58 2jwk s ALA 34 N -2.87 1.62 -0.02 3.71 0.00 -0.06 -1.57 121.76 122.57 2jwk s ALA 34 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2jwk s ALA 34 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2jwk s ALA 34 CO -0.05 0.36 -0.07 0.96 0.00 0.00 0.00 175.76 176.96 2jwk s ILE 35 N -0.74 0.63 -0.24 0.00 -4.36 -0.14 0.19 121.20 116.53 2jwk s ILE 35 Ca 0.06 -0.27 -0.03 0.00 -0.26 0.00 0.00 60.65 60.15 2jwk s ILE 35 Cb -0.08 -0.57 0.01 0.00 1.25 0.00 0.00 42.46 43.07 2jwk s ILE 35 CO 0.01 0.21 -0.04 -0.55 0.24 0.00 0.00 174.94 174.81 2jwk s SER 36 N 0.25 4.40 -0.27 4.36 0.15 0.18 0.62 113.70 123.39 2jwk s SER 36 Ca -0.03 -0.68 -0.00 0.00 0.70 0.00 0.00 55.95 55.93 2jwk s SER 36 Cb -0.08 -1.72 0.05 0.00 -1.71 0.00 0.00 66.02 62.56 2jwk s SER 36 CO 0.00 -0.10 -0.05 -0.63 1.20 0.00 0.00 173.24 173.66 2jwk s ILE 37 N 1.40 2.72 -1.50 6.45 1.01 0.20 -0.83 121.20 130.66 2jwk s ILE 37 Ca 0.03 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.27 2jwk s ILE 37 Cb -0.16 -2.51 0.05 0.00 0.01 0.00 0.00 42.46 39.85 2jwk s ILE 37 CO -0.03 0.01 0.60 0.61 0.00 0.00 0.00 174.94 176.13 2jwk n GLY 38 N 4.59 -0.32 1.45 6.18 0.00 -1.23 -1.08 105.19 114.78 2jwk n GLY 38 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jwk n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jwk n GLY 39 N -1.77 3.06 3.69 -0.02 0.00 -1.26 -5.02 105.19 103.86 2jwk n GLY 39 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2jwk n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jwk s GLU 40 N -0.30 4.31 -0.13 1.61 2.02 -0.24 -5.06 118.70 120.90 2jwk s GLU 40 Ca 0.00 0.61 -0.04 0.00 0.02 0.00 0.00 54.97 55.56 2jwk s GLU 40 Cb 0.00 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 2jwk s GLU 40 CO 0.00 -0.02 0.02 0.50 0.02 0.00 0.00 175.26 175.78 2jwk s ARG 41 N 1.18 3.48 -0.18 1.61 3.00 -1.26 0.63 118.95 127.41 2jwk s ARG 41 Ca 0.30 -0.39 -0.01 0.00 -1.00 0.00 0.00 55.73 54.62 2jwk s ARG 41 Cb -0.16 -2.98 -0.00 0.00 0.00 0.00 0.00 34.95 31.81 2jwk s ARG 41 CO 0.12 0.47 -0.11 -0.65 0.00 0.00 0.00 175.30 175.13 2jwk s GLN 42 N -0.22 3.27 0.07 5.12 -0.21 0.20 -4.97 119.66 122.92 2jwk s GLN 42 Ca 0.06 -0.70 0.05 0.00 0.02 0.00 0.00 55.36 54.79 2jwk s GLN 42 Cb -0.12 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 2jwk s GLN 42 CO 0.02 -0.06 -0.04 -1.21 -2.12 0.00 0.00 175.29 171.87 2jwk s GLU 43 N 1.05 2.43 -0.08 2.91 0.41 -1.26 -0.96 118.70 123.20 2jwk s GLU 43 Ca -0.00 -0.86 -0.02 0.00 -0.41 0.00 0.00 54.97 53.67 2jwk s GLU 43 Cb -0.15 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 2jwk s GLU 43 CO -0.02 0.55 0.11 0.41 -0.49 0.00 0.00 175.26 175.81 2jwk n GLY 44 N 0.86 -0.76 3.03 -1.39 0.00 -1.24 -5.04 105.19 100.64 2jwk n GLY 44 Ca -0.13 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2jwk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jwk s LEU 45 N -1.41 2.22 0.61 0.99 1.43 -0.61 -5.00 118.68 116.91 2jwk s LEU 45 Ca 0.04 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2jwk s LEU 45 Cb -0.01 -0.11 0.06 0.00 0.03 0.00 0.00 46.19 46.15 2jwk s LEU 45 CO 0.13 -0.19 0.87 0.42 0.23 0.00 0.00 176.35 177.81 2jwk s THR 46 N -1.22 2.49 0.13 5.49 -4.23 -1.26 -1.99 115.64 115.04 2jwk s THR 46 Ca -0.10 -0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 59.72 2jwk s THR 46 Cb -0.09 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2jwk s THR 46 CO 0.00 0.00 1.51 1.05 -0.54 0.00 0.00 174.62 176.64 2jwk h GLU 47 N -0.18 0.80 -0.64 3.99 4.11 -1.99 0.61 114.58 121.28 2jwk h GLU 47 Ca -0.42 -0.34 -0.07 0.00 0.07 0.00 0.00 59.36 58.61 2jwk h GLU 47 Cb 1.30 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2jwk h GLU 47 CO 0.52 0.96 0.14 1.49 0.07 0.00 0.00 179.01 182.19 2jwk h GLU 48 N 0.60 1.02 -0.13 1.06 4.22 -1.96 -1.57 114.58 117.83 2jwk h GLU 48 Ca 0.09 -0.24 -0.06 0.00 0.08 0.00 0.00 59.36 59.24 2jwk h GLU 48 Cb 0.70 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jwk h GLU 48 CO 0.05 0.91 -0.14 0.52 -2.18 0.00 0.00 179.01 178.17 2jwk h MET 49 N 0.97 0.32 -0.65 1.92 2.86 -1.92 -2.29 114.93 116.13 2jwk h MET 49 Ca 0.20 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2jwk h MET 49 Cb 0.36 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 2jwk h MET 49 CO 0.00 0.73 0.43 -0.24 1.06 0.00 0.00 176.91 178.89 2jwk h VAL 50 N -0.07 1.04 -0.05 -2.22 3.04 -0.76 -1.65 116.25 115.57 2jwk h VAL 50 Ca 0.02 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2jwk h VAL 50 Cb 0.68 0.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.23 2jwk h VAL 50 CO 0.03 0.13 0.01 0.74 -1.01 0.00 0.00 177.57 177.48 2jwk h THR 51 N 0.70 1.17 -0.34 3.17 2.02 -1.20 -0.69 112.91 117.73 2jwk h THR 51 Ca 0.27 -0.51 0.08 0.00 0.77 0.00 0.00 66.41 67.02 2jwk h THR 51 Cb 0.20 1.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 2jwk h THR 51 CO -0.08 0.14 -0.22 -0.61 0.37 0.00 0.00 175.52 175.12 2jwk h GLN 52 N -0.12 -0.17 -0.16 6.66 4.15 -0.73 0.30 115.11 125.04 2jwk h GLN 52 Ca 0.02 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2jwk h GLN 52 Cb 0.21 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2jwk h GLN 52 CO -0.00 -0.11 0.03 -0.07 -1.93 0.00 0.00 178.83 176.75 2jwk h LEU 53 N -0.18 0.25 -0.69 -2.39 3.38 -1.33 -0.66 115.31 113.69 2jwk h LEU 53 Ca 0.17 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jwk h LEU 53 Cb 0.45 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2jwk h LEU 53 CO -0.45 0.43 0.44 0.28 0.09 0.00 0.00 178.44 179.24 2jwk h SER 54 N 0.06 0.73 -0.35 -0.43 0.02 -0.67 -0.99 113.55 111.91 2jwk h SER 54 Ca 0.05 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2jwk h SER 54 Cb 0.29 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2jwk h SER 54 CO 0.00 0.51 -0.02 0.03 -1.14 0.00 0.00 176.83 176.21 2jwk h ARG 55 N 0.87 0.64 -0.74 3.45 2.47 -0.34 -1.47 114.38 119.25 2jwk h ARG 55 Ca 0.27 -0.21 -0.05 0.00 -1.26 0.00 0.00 59.98 58.73 2jwk h ARG 55 Cb -0.01 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 2jwk h ARG 55 CO -0.10 0.76 0.28 0.37 0.56 0.00 0.00 179.97 181.84 2jwk h GLN 56 N 0.44 1.13 -0.35 0.04 4.15 -0.81 -0.50 115.11 119.21 2jwk h GLN 56 Ca 0.10 -0.22 -0.15 0.00 0.77 0.00 0.00 58.65 59.15 2jwk h GLN 56 Cb 0.49 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2jwk h GLN 56 CO 0.02 0.93 -0.40 0.93 -1.93 0.00 0.00 178.83 178.39 2jwk h GLU 57 N 1.08 0.84 -0.03 1.69 4.39 -1.12 -2.36 114.58 119.08 2jwk h GLU 57 Ca 0.25 -0.44 -0.11 0.00 0.34 0.00 0.00 59.36 59.40 2jwk h GLU 57 Cb 0.24 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2jwk h GLU 57 CO -0.02 1.08 -0.48 0.35 -1.16 0.00 0.00 179.01 178.79 2jwk h PHE 58 N 0.69 0.07 0.00 4.33 3.57 -1.01 -0.22 116.94 124.37 2jwk h PHE 58 Ca 0.06 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 2jwk h PHE 58 Cb 0.97 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2jwk h PHE 58 CO 0.06 0.53 -0.73 0.22 -2.23 0.00 0.00 178.31 176.15 2jwk h ASP 59 N 0.05 0.00 0.50 0.41 3.58 -0.98 -2.99 116.42 116.99 2jwk h ASP 59 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2jwk h ASP 59 Cb 0.86 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2jwk h ASP 59 CO 0.06 0.73 -1.50 0.11 -2.88 0.00 0.00 179.24 175.77 2jwk h LYS 60 N 0.00 0.21 -3.40 0.28 1.57 -1.29 -3.42 116.57 110.53 2jwk h LYS 60 Ca -0.01 -0.36 -0.60 0.00 -1.87 0.00 0.00 60.65 57.81 2jwk h LYS 60 Cb 1.47 0.14 -0.40 0.00 0.08 0.00 0.00 32.23 33.52 2jwk h LYS 60 CO 0.10 1.06 -0.75 -0.51 -0.57 0.00 0.00 179.45 178.78 2jwk s ASP 61 N -6.90 3.92 0.00 0.86 1.01 -0.11 -4.98 116.67 110.47 2jwk s ASP 61 Ca -0.08 -2.09 0.13 0.00 0.71 0.00 0.00 52.55 51.22 2jwk s ASP 61 Cb 0.07 -0.99 0.62 0.00 1.01 0.00 0.00 42.92 43.63 2jwk s ASP 61 CO 0.85 -0.35 1.38 0.59 0.21 0.00 0.00 175.17 177.85 2jwk n ASN 62 N 4.25 0.00 -0.63 0.27 5.03 -1.13 -2.57 115.26 120.48 2jwk n ASN 62 Ca 0.03 0.30 0.09 0.00 0.87 0.00 0.00 54.58 55.87 2jwk n ASN 62 Cb 0.39 -0.39 0.22 0.00 -1.02 0.00 0.00 39.78 38.97 2jwk n ASN 62 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2jwk n ASN 63 N -1.39 3.38 -4.64 6.41 5.15 -1.26 -5.01 115.26 117.89 2jwk n ASN 63 Ca 0.05 -2.99 -0.43 0.00 -0.60 0.00 0.00 54.58 50.61 2jwk n ASN 63 Cb 0.13 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 38.86 2jwk n ASN 63 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2jwk s THR 64 N -2.75 3.69 0.09 -0.44 2.01 -1.06 -3.37 115.64 113.81 2jwk s THR 64 Ca 0.38 0.81 -0.31 0.00 0.31 0.00 0.00 61.69 62.88 2jwk s THR 64 Cb 0.31 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 2jwk s THR 64 CO 0.07 -0.20 1.70 -0.22 -0.69 0.00 0.00 174.62 175.29 2jwk s LEU 65 N 4.72 4.37 -0.10 4.42 2.96 -1.26 -4.86 118.68 128.94 2jwk s LEU 65 Ca 0.71 2.56 0.02 0.00 -0.22 0.00 0.00 54.13 57.20 2jwk s LEU 65 Cb -0.28 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 2jwk s LEU 65 CO 0.28 -0.92 -0.14 -0.36 -1.32 0.00 0.00 176.35 173.89 2jwk s PHE 66 N 2.63 2.76 0.01 5.38 0.08 -1.26 -0.81 117.98 126.75 2jwk s PHE 66 Ca 0.76 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.35 2jwk s PHE 66 Cb -0.42 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2jwk s PHE 66 CO 0.33 -0.07 -0.05 -0.48 -0.10 0.00 0.00 175.22 174.85 2jwk s LEU 67 N -0.07 2.06 -0.09 -0.37 0.05 -0.92 -5.00 118.68 114.34 2jwk s LEU 67 Ca -0.03 -0.18 0.03 0.00 0.05 0.00 0.00 54.13 54.01 2jwk s LEU 67 Cb -0.14 -0.23 0.01 0.00 -2.05 0.00 0.00 46.19 43.78 2jwk s LEU 67 CO 0.04 0.01 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.97 2jwk s VAL 68 N -0.37 1.68 0.02 1.48 1.01 -1.26 -1.74 120.40 121.22 2jwk s VAL 68 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2jwk s VAL 68 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2jwk s VAL 68 CO -0.00 0.48 -0.04 -0.83 0.00 0.00 0.00 175.10 174.70 2jwk s GLY 69 N 0.56 0.27 0.18 4.51 0.00 -0.81 -5.02 107.32 107.02 2jwk s GLY 69 Ca -0.15 -0.47 0.10 0.00 0.00 0.00 0.00 44.72 44.20 2jwk s GLY 69 CO 0.05 -0.51 -0.22 -0.32 0.00 0.00 0.00 173.10 172.11 2jwk s GLY 70 N -1.01 1.58 0.77 0.20 0.00 -1.26 -0.73 107.32 106.87 2jwk s GLY 70 Ca -0.08 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 42.95 2jwk s GLY 70 CO -0.00 -1.61 1.10 0.00 0.00 0.00 0.00 173.10 172.59 2jwk s ALA 71 N -1.79 2.49 0.46 3.20 0.00 -1.02 -4.91 121.76 120.18 2jwk s ALA 71 Ca 0.18 -0.29 0.15 0.00 0.00 0.00 0.00 51.96 52.00 2jwk s ALA 71 Cb -0.07 -3.07 1.10 0.00 0.00 0.00 0.00 23.12 21.08 2jwk s ALA 71 CO 0.09 -1.53 2.02 0.87 0.00 0.00 0.00 175.76 177.20 2jwk h LYS 72 N -0.95 0.30 -0.00 0.00 6.56 -1.98 -0.14 116.57 120.37 2jwk h LYS 72 Ca -0.46 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2jwk h LYS 72 Cb 1.27 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2jwk h LYS 72 CO 0.61 0.20 -0.04 0.39 -2.06 0.00 0.00 179.45 178.56 2jwk n GLU 73 N -4.47 0.45 -3.26 3.15 1.02 -1.26 -4.80 120.64 111.48 2jwk n GLU 73 Ca 0.07 -0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 56.78 2jwk n GLU 73 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 2jwk n GLU 73 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jwk s VAL 74 N -2.58 4.95 0.58 2.62 1.01 -0.07 -4.98 120.40 121.93 2jwk s VAL 74 Ca 0.27 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.27 2jwk s VAL 74 Cb 0.20 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2jwk s VAL 74 CO 0.47 0.43 1.02 -2.16 0.00 0.00 0.00 175.10 174.87 2jwk s PRO 75 N -0.25 3.60 0.33 2.72 0.04 -1.26 -4.80 135.00 135.38 2jwk s PRO 75 Ca 0.29 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.32 2jwk s PRO 75 Cb -0.18 -2.08 0.58 0.00 0.04 0.00 0.00 34.50 32.86 2jwk s PRO 75 CO 0.16 -0.56 1.83 -0.92 0.04 0.00 0.00 177.00 177.55 2jwk h TYR 76 N 0.24 0.47 -0.83 0.56 3.20 -1.97 -2.34 116.97 116.29 2jwk h TYR 76 Ca -0.46 -0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.42 2jwk h TYR 76 Cb 1.20 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 2jwk h TYR 76 CO 0.63 0.54 0.54 0.93 -1.64 0.00 0.00 178.16 179.17 2jwk h GLU 77 N 0.41 0.86 -0.13 1.82 5.08 -2.00 -0.53 114.58 120.08 2jwk h GLU 77 Ca 0.08 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2jwk h GLU 77 Cb 0.45 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2jwk h GLU 77 CO 0.03 0.57 -0.56 0.93 -1.00 0.00 0.00 179.01 178.98 2jwk h GLU 78 N 0.88 0.40 -0.76 2.33 3.07 -1.81 -2.51 114.58 116.19 2jwk h GLU 78 Ca 0.37 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 2jwk h GLU 78 Cb 0.28 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 2jwk h GLU 78 CO -0.14 0.85 0.33 0.28 -1.40 0.00 0.00 179.01 178.94 2jwk h VAL 79 N 0.31 1.25 -0.14 3.13 2.07 -0.91 -1.85 116.25 120.11 2jwk h VAL 79 Ca 0.00 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.80 2jwk h VAL 79 Cb 1.07 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2jwk h VAL 79 CO 0.10 0.31 0.06 0.40 0.02 0.00 0.00 177.57 178.46 2jwk h ILE 80 N 1.09 0.99 -0.68 4.57 1.08 -0.95 -2.04 117.51 121.57 2jwk h ILE 80 Ca 0.26 -0.05 0.10 0.00 -0.39 0.00 0.00 64.86 64.78 2jwk h ILE 80 Cb 0.16 0.84 -0.08 0.00 -3.07 0.00 0.00 36.82 34.67 2jwk h ILE 80 CO -0.03 0.03 0.29 0.11 -0.69 0.00 0.00 178.15 177.86 2jwk h LYS 81 N 0.14 0.47 -0.13 2.37 1.79 -1.01 0.35 116.57 120.56 2jwk h LYS 81 Ca 0.06 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2jwk h LYS 81 Cb 0.01 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 2jwk h LYS 81 CO -0.04 0.31 0.00 0.00 -1.08 0.00 0.00 179.45 178.64 2jwk h ALA 82 N 1.45 0.11 -0.57 3.86 0.00 -0.91 0.22 119.26 123.42 2jwk h ALA 82 Ca 0.34 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2jwk h ALA 82 Cb 0.42 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jwk h ALA 82 CO -0.31 -0.45 0.23 -0.07 0.00 0.00 0.00 179.25 178.65 2jwk h LEU 83 N 0.04 0.74 -0.65 0.00 3.38 -0.67 -2.13 115.31 116.03 2jwk h LEU 83 Ca 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 83 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2jwk h LEU 83 CO -0.10 0.66 0.40 -1.13 0.09 0.00 0.00 178.44 178.36 2jwk h ASN 84 N 0.81 0.77 -0.49 -0.43 -0.73 0.80 -1.64 115.58 114.67 2jwk h ASN 84 Ca 0.19 -0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.23 2jwk h ASN 84 Cb 0.15 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 2jwk h ASN 84 CO -0.02 0.60 0.03 -0.07 -0.37 0.00 0.00 177.43 177.60 2jwk h LEU 85 N 0.88 0.87 -0.61 0.34 3.38 0.00 -1.81 115.31 118.36 2jwk h LEU 85 Ca 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jwk h LEU 85 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2jwk h LEU 85 CO -0.05 0.92 0.21 -0.07 0.09 0.00 0.00 178.44 179.54 2jwk h LEU 86 N 0.84 0.88 -0.66 1.67 -0.00 -1.03 -2.54 115.31 114.48 2jwk h LEU 86 Ca 0.16 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 2jwk h LEU 86 Cb 0.46 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.86 2jwk h LEU 86 CO 0.02 0.84 0.28 -0.74 -0.00 0.00 0.00 178.44 178.84 2jwk h HIS 87 N 0.87 0.99 -0.88 1.13 2.76 -1.01 0.13 115.15 119.13 2jwk h HIS 87 Ca 0.20 -0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2jwk h HIS 87 Cb 0.26 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 2jwk h HIS 87 CO 0.02 0.76 0.58 -0.07 -1.30 0.00 0.00 177.93 177.92 2jwk h LEU 88 N 0.93 0.95 -1.56 0.26 4.07 -1.02 -1.28 115.31 117.66 2jwk h LEU 88 Ca 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.17 2jwk h LEU 88 Cb 0.18 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.70 2jwk h LEU 88 CO -0.02 0.65 0.00 0.00 -1.08 0.00 0.00 178.44 177.99 2jwk n ALA 89 N -2.40 2.52 -3.43 1.53 0.00 -0.98 -4.93 120.51 112.80 2jwk n ALA 89 Ca 0.12 -0.73 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 2jwk n ALA 89 Cb 0.11 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.66 2jwk n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwk n GLY 90 N 1.06 -0.38 0.11 0.00 0.00 -0.48 -4.91 105.19 100.59 2jwk n GLY 90 Ca 0.14 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 2jwk n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwk n ILE 91 N -4.41 1.33 -0.60 -0.61 5.41 0.40 -5.01 119.36 115.88 2jwk n ILE 91 Ca -0.12 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.01 2jwk n ILE 91 Cb 0.60 -1.06 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72